SCHEMBL3707216

SCHEMBL3707216

O=C(Nc1ccccc1OC(F)(F)F)Nc1cccc2c1CCN2Cc1ccnc2[nH]ccc12

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 14/20 0.40
JAK2 O60674 1/20 0.38
AKT2 P31751 1/20 0.37
CIT O14578 1/20 0.37
KDR P35968 2/20 0.37
AURKA O14965 1/20 0.36
BRAF P15056 1/20 0.36
MAPK14 Q16539 1/20 0.36
TNNI3K Q59H18 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15053934 0.92 P2RY1 (0.39) P2RY1JAK2AKT2CIT
SCHEMBL3699717 0.89 BTK (0.44) CITKDR
SCHEMBL3707598 0.89 BRAF (0.43) P2RY1KDRBRAFMAPK14TNNI3K
SCHEMBL3700334 0.89 P2RY1 (0.48) P2RY1
SCHEMBL3696454 0.89 HTR2A (0.44) P2RY1
SCHEMBL3702243 0.88 BTK (0.44) KDRMAPK14
SCHEMBL3706468 0.87 BTK (0.42) JAK2KDRBRAF
SCHEMBL3699381 0.86 AURKA (0.43) AURKABRAF
SCHEMBL3702643 0.85 JAK2 (0.41) JAK2CITKDRAURKABRAF
SCHEMBL3703376 0.85 MAPT (0.41) CITBRAF

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8648086-B2 5,6-bicyclic heteroaryl-containing urea compounds as kinase inhibitors ASCEPION PHARMACEUTICALS, INC. (CN) 2014-02-11 US claimed
US-20120122895-A1 5,6-BICYCLIC HETEROARYL-CONTAINING UREA COMPOUNDS AS KINASE INHIBITORS JIANG, SHAN 2012-05-17 US claimed
US-8648086-B2 5,6-bicyclic heteroaryl-containing urea compounds as kinase inhibitors ASCEPION PHARMACEUTICALS, INC. (CN) 2014-02-11 US disclosed
US-20120122895-A1 5,6-BICYCLIC HETEROARYL-CONTAINING UREA COMPOUNDS AS KINASE INHIBITORS JIANG, SHAN 2012-05-17 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120122895-A1 5,6-BICYCLIC HETEROARYL-CONTAINING UREA COMPOUNDS AS KINASE INHIBITORS FLT3, CSF1R, EPHA2 P2RY1 441/4885JAK2 37/4885AKT2 299/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.